(1-bromanyl-2,2-dimethyl-3-oxidanyl-propyl) hypobromite; carbamimidoylazanium; borate

Systemtic Name: (1-bromanyl-2,2-dimethyl-3-oxidanyl-propyl) hypobromite; carbamimidoylazanium; borate Openeye Name: (1-bromo-3-hydroxy-2,2-dimethyl-propyl) hypobromite; carbamimidoylammonium; borate CAS Name: carbamimidoylammonium; hypobromous acid (1-bromo-3-hydroxy-2,2-dimethylpropyl) ester; borate IUPAC Name: (1-bromo-3-hydroxy-2,2-dimethylpropyl) hypobromite; carbamimidoylazanium; borate Traditional Name: amidinoammonium; hypobromous acid (1-bromo-3-hydroxy-2,2-dimethyl-propyl) ester; borate Formula: C13H38BBr4N9O7 MolecularWeight: 762.92392

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].CC(C)(CO)C(OBr)Br.CC(C)(CO)C(OBr)Br.C(=N)([NH3+])N.C(=N)([NH3+])N.C(=N)([NH3+])N

Isomeric SMILES

B([O-])([O-])[O-].CC(C)(CO)C(OBr)Br.CC(C)(CO)C(OBr)Br.C(=N)([NH3+])N.C(=N)([NH3+])N.C(=N)([NH3+])N

InChI

InChI=1S/2C5H10Br2O2.3CH5N3.BO3/c2*1-5(2,3-8)4(6)9-7;4*2-1(3)4/h2*4,8H,3H2,1-2H3;3*(H5,2,3,4);/q;;;;;-3/p+3